F520-0069 Screening compound: N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-1,3-benzothiazole-2-carboxamide

F520-0069 Screening compound: N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-1,3-benzothiazole-2-carboxamide
F520-0069 Screening compound: N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-1,3-benzothiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F520-0069
N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-1,3-benzothiazole-2-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

F520-0069

Molecular Formula

C17H14N4O3S3 (C17 H14 N4 O3 S3)

Compound Name

N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-1,3-benzothiazole-2-carboxamide

IUPAC name

N-[6-(dimethylsulfamoyl)-13-benzothiazol-2-yl]-13-benzothiazole-2-carboxamide

SMILES

CN(C)S(c(cc1)cc2c1nc(NC(c1nc(cccc3)c3s1)=O)s2)(=O)=O

InChI

InChI=1S/C17H14N4O3S3/c1-21(2)27(23,24)10-7-8-12-14(9-10)26-17(19-12)20-15(22)16-18-11-5-3-4-6-13(11)25-16/h3-9H,1-2H3,(H,19,20,22)

InChI Key

HEPKQOYDZUTJDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08537432

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.977

Distribution Coefficient, logD

3.975

Water Solubility, LogSw

-4.08

Polar Surface Area

76.475

Acid Dissociation Constant (pKa)

9.80

Base Dissociation Constant (pKb)

1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

F520-0069 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F520-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F520-0069?
Check Price and Availability of F520-0069, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F520-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F520-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F520-0069
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of F520-0069 available by request